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162654-65-1

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Basic Information
CAS No.: 162654-65-1
Name: Diisopropyl 1,1-cyclopropane-dicarboxylate
Molecular Structure:
Molecular Structure of 162654-65-1 (Diisopropyl 1,1-cyclopropane-dicarboxylate)
Formula: C11H18O4
Molecular Weight: 214.262
Synonyms: 1,1-Cyclopropanedicarboxylicacid, bis(1-methylethyl) ester (9CI);Diisopropyl cyclopropane-1,1-dicarboxylate;
Density: 1.106 g/cm3
Boiling Point: 231.7 °C at 760 mmHg
Flash Point: 101.4 °C
PSA: 52.60000
LogP: 1.66980
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    162654-65-1 C11H18O4 Diisopropyl 1,1-cyclopropane-dicarboxylate

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Specification

The cas register number of Diisopropyl 1,1-cyclopropane-dicarboxylate is 162654-65-1. It also can be called as 1,1-cyclopropanedicarboxylic acid, bis(1-methylethyl) ester and the Systematic name about this chemical is bis(1-methylethyl) cyclopropane-1,1-dicarboxylate.

Physical properties about Diisopropyl 1,1-cyclopropane-dicarboxylate are: (1)ACD/LogP: 1.88 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.88 ; (4)ACD/LogD (pH 7.4): 1.88 ; (5)ACD/BCF (pH 5.5): 15.76; (6)ACD/BCF (pH 7.4): 15.76; (7)ACD/KOC (pH 5.5): 250.55; (8)ACD/KOC (pH 7.4): 250.55; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 54.09 cm3; (15)Molar Volume: 193.6 cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 101.4 °C; (19)Enthalpy of Vaporization: 46.84 kJ/mol; (20)Boiling Point: 231.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0613 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OC(C)C)C1(CC1)C(=O)OC(C)C
2.InChI: InChI=1/C11H18O4/c1-7(2)14-9(12)11(5-6-11)10(13)15-8(3)4/h7-8H,5-6H2,1-4H3 
3.InChIKey: YWRJBKMIMQFNPZ-UHFFFAOYAO
4.Std. InChI: InChI=1S/C11H18O4/c1-7(2)14-9(12)11(5-6-11)10(13)15-8(3)4/h7-8H,5-6H2,1-4H3.